81050 <common-name>11Beta,17-Dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione</common-name> <description>11Beta,17-Dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules and has the formula C22H28I2O4. With an average molecular weight of 610.27 g/mol, 11Beta,17-Dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione is a heavy molecule.</description> <cas>94134-96-0</cas> <pubchem-id>10121665</pubchem-id> <chemical-formula>C22H28I2O4</chemical-formula> <weight>610.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T17:02:23Z</created-at> <updated-at type="dateTime">2026-08-30T13:45:33Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12</moldb-smiles> <moldb-formula>C22H28I2O4</moldb-formula> <moldb-inchi>InChI=1S/C22H28I2O4/c1-11-8-13-14-5-7-22(28,18(27)19(23)24)21(14,3)10-16(26)17(13)20(2)6-4-12(25)9-15(11)20/h4,6,9,11,13-14,16-17,19,26,28H,5,7-8,10H2,1-3H3/t11-,13-,14-,16+,17+,20-,21-,22-/m0/s1</moldb-inchi> <moldb-inchikey>HXECQENBKBNQCQ-XLECKLAMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">610.271</moldb-average-mass> <moldb-mono-mass type="decimal">610.007705</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8297185</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM076943</chemdb-id> <dsstox-id>DTXSID50240737</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040133</susdat-id> <iupac>(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-diiodoacetyl)-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Pregnane steroids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0144265</sync-id> <structure-inchikey>HXECQENBKBNQCQ-XLECKLAMSA-N</structure-inchikey> <structure-fingerprint>400000000000000000002800000000000000000000000000000000000000800000000000000000300000000000000000000000000000000008000000000000000100400010000000000000000002000000200480010000000000000000000000000410000120000000004000000000000000000200000000010000000000401000000000480000000000000000000000202000000000000001000000004000200008800400040000000000000c0000000000000800200000000040000000001000000000000000000800080000000200000100000000000000000000200000002000000201000000000040000000000400002000000000002000000004000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGIDQAAAAB AQQGAGAAAAACAgYgNAAAAAEBBAYgNAAAAAIBBAYAYAAAAAICBgBgAAAAAgIG ICQAAAACBAgAYAAAAAEBBgAoAAAAAwQIACgAAAADAgYAYAAAAAMBNQAgAAAA ATUAIAAAAAEGICQAAAABBAYAYAAAAAEDBgBgAAAAAgIGIDQAAAACAQQIAGAA AAABAQYgNAAAAAIBBAYgJAAAAAEEBgBgAAAAAQMGAGgAAAADAwEGAGgAAAAD AwEGACgAAAADBAgAKAAAAAMCBgBoAAAAAwMBBgAoAAAAAwQLAAEAAQIAAgMA AwQABAUABQYABgcABwgABwkACQoIAgkLAAsMAAsNAAcOAA4PAA4QABARABES ABETABMUABQVABQWABYXKAIXGCAYGSgCGBogGhsoAhsBABMDABsUAA4EAEIE AAAABgEbFBMDAgUFBA4HBgYQERMDBA4GFhcYGhsUFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:48Z</structure-indexed-at> </compound>